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Compound Detail

CHEMBL2115173

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COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N1CCC([C@H](C)NC(=O)[C@H](C)N)=CC(Cc2ccccc2)C1=O)C(C)C)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2115173
Phase Preclinical
Structure Type MOL
InChI Key IXNGOIYTCQDBNX-GHQTZFDCSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

599.8
MW (Da)
1.70
ALogP
7
HBA
4
HBD
159.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H49N5O6
MW 599.77
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness -0.15

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
8360876 10.1021/jm00068a008 Human immunodeficiency virus type 1 protease 2

Data from ChEMBL 36 via Core Engine